NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     E  4.1714 8.4401 121.4699 55.9704 30.6212 175.5173
  2     A  4.1150 8.3976 129.1914 50.5119 19.6304 174.3581
  3     D  4.6536 8.1938 119.7204 52.6079 42.4645 173.1381
  4     P  4.4187 0.0000   0.0000 64.5448 32.0360 176.5226
  5     T  4.0571 8.0371 117.5081 62.9929 68.8604 174.0038
  6     G  4.0677 8.5158 115.1123 43.8298  0.0000 171.9881
  7     H  4.9833 8.3867 121.2551 53.6057 31.6512 173.8954
  8     S  4.1616 8.4814 118.0982 58.2928 63.0834 173.4496
  9     Y  4.6354 8.1045 121.5468 58.5050 37.7407 175.6216

  NUM RES  H    HA   HB   HB2  HB3  HD1  HD2  HD21 HD22 HD3  HE   HE1  HE2  HE21 HE22 HE3  HG   HG1  HG12 HG13 HG2  HG3  HZ   
  1     E  8.44 4.17 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.31 0.00 
  2     A  8.40 4.11 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  3     D  8.19 4.65 0.00 2.64 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  4     P  0.00 4.42 0.00 2.20 2.14 0.00 3.80 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 
  5     T  8.04 4.06 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 
  6     G  8.52 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  7     H  8.39 4.98 0.00 3.13 3.19 0.00 5.73 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  8     S  8.48 4.16 0.00 3.81 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  9     Y  8.10 4.64 0.00 3.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00